Molecular dynamics

The virtual dynamic docking, carried out in the MOLBD3 lab of the Institute of Biophysics, allows the identification of new drugs through the structural information deriving from the study of target proteins, responsible for some human pathologies. In particular, we screen drugs or small molecules (commercial/own libraries) against known protein sites, surface cavities, surfaces of protein-protein interactions (fixed/rigid hotspots) or structural transition states (dynamic hotspots).